N2-(4-chlorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6O2/c1-22-9-7-14(8-10-22)23(2)16-15(24(25)26)11-19-17(21-16)20-13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,19,20,21)